7U64

Crystal Structure of Anti-Fentanyl Antibody HY6-F9.6 Fab Complexed with Fentanyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-10-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97388
Spacegroup name	P 31
Unit cell lengths	218.139, 218.139, 89.023
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.330 - 1.750
R-factor	0.1986
Rwork	0.197
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lex
RMSD bond length	0.006
RMSD bond angle	0.896
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.330	43.330	1.780
High resolution limit [Å]	1.750	9.590	1.750
Rmeas	0.155	0.047	0.998
Rpim	0.068	0.020	0.442
Number of reflections	475987	2882	23482
<I/σ(I)>	7.7	28.4	1.3
Completeness [%]	99.6	98.9	98.8
Redundancy	5.1	5.3	5
CC(1/2)	0.994	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2.8M Sodium Acetate